5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C16H26ClN7OS — CID 119679486

IUPAC5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCCC(CC)c1nnc(NC(=O)c2nnn(C3CCNCC3)c2C)s1.Cl
InChIInChI=1S/C16H25N7OS.ClH/c1-4-11(5-2)15-20-21-16(25-15)18-14(24)13-10(3)23(22-19-13)12-6-8-17-9-7-12;/h11-12,17H,4-9H2,1-3H3,(H,18,21,24);1H
InChIKeyLTEBEZIMBLKOLM-UHFFFAOYSA-N
MW399.95 g/mol
LogP2.94
Rot. Bonds6

About 5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119679486) has the molecular formula C16H26ClN7OS and a molecular weight of 399.95 g/mol. Its IUPAC name is 5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119679486
Molecular FormulaC16H26ClN7OS
Molecular Weight399.95 g/mol
Exact Mass399.16
IUPAC Name5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCCC(CC)c1nnc(NC(=O)c2nnn(C3CCNCC3)c2C)s1.Cl
InChIInChI=1S/C16H25N7OS.ClH/c1-4-11(5-2)15-20-21-16(25-15)18-14(24)13-10(3)23(22-19-13)12-6-8-17-9-7-12;/h11-12,17H,4-9H2,1-3H3,(H,18,21,24);1H
InChIKeyLTEBEZIMBLKOLM-UHFFFAOYSA-N
XLogP2.94
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.95
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride with MolForge

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119675974
5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673371
N-butyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671844
5-methyl-N-(3-methylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119678385
N-(4-fluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670658
N-(2-cyclopropylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119790407
5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119679553
N-(3,5-difluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119696872
N-(4-ethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119716143
N-cyclopentyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119674072
5-methyl-1-piperidin-4-yl-N-(2-propylhexyl)triazole-4-carboxamide;hydrochloride
CID 119811871
N-[4-(difluoromethylsulfanyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119668978

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of 5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119679486) is 5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for 5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is CCC(CC)c1nnc(NC(=O)c2nnn(C3CCNCC3)c2C)s1.Cl.
What is the InChIKey of 5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is LTEBEZIMBLKOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7OS.ClH/c1-4-11(5-2)15-20-21-16(25-15)18-14(24)13-10(3)23(22-19-13)12-6-8-17-9-7-12;/h11-12,17H,4-9H2,1-3H3,(H,18,21,24);1H.
What are the key properties of 5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 399.95 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119679486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).